Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Re^9: Can we find LUMO to HOMO transitions using Firefly-8.0.1?

Alex Granovsky
gran@classic.chem.msu.su


Dear Siddheshwar,

thank you for reporting this minor bug. It only affects exetyp=check runs.

Kind regards,
Alex Granovsky



On Sun Mar 30 '14 10:43pm, Siddheshwar Chopra wrote
---------------------------------------------------
>Dear Alex,
>A very strange thing happened.. The error mentioned below occured when I ran a CHECKRUN...however the program continued properly when I didnt run a checkrun.. or when I ran it normally... what is the reason for it and what does this error mean??

>Regards,
>
>
>On Sun Mar 30 '14 6:49pm, Alex Granovsky wrote
>----------------------------------------------
>>Dear Siddheshwar,

>>Please send me off list your exact input file.

>>Kind regards,
>>Alex Granovsky
>>
>>
>>
>>On Sun Mar 30 '14 5:59pm, Siddheshwar Chopra wrote
>>--------------------------------------------------
>>>Dear Alex and Thomas,
>>>I upgraded 8.0.1 to 8.1.0 and ran the TDDFT calculation again...This time I got the following error::

>>> *** ERROR *** ATTEMPT TO READ A DAF RECORD THAT WAS NEVER WRITTEN.
>>> RECORD NUMBER �303 OF LENGTH � � 24964 DOES NOT EXIST.

>>>Please help..

>>>Regards,

>>


[ Previous ] [ Next ] [ Index ]           Mon Mar 31 '14 1:23am
[ Reply ] [ Edit ] [ Delete ]           This message read 802 times